SCHEMBL1336698

SCHEMBL1336698

C=C1OC2(CCCCC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 16/20 0.38
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
PKM P14618 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
PTPN1 P18031 1/20 0.38
ACP1 P24666 1/20 0.38
CDC25B P30305 1/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 6/20 0.36
HPGD P15428 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12511298 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18815074 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17072593 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21415459 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12254198 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27987809 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14015307 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28347656 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24200431 0.71 PTPN1 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13416911 0.71 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107952-B1 METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES ETH ZUERICH (CH) 2018-09-26 EP disclosed
US-20170088878-A1 METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES ETH ZURICH (CH) 2017-03-30 US disclosed
US-20170088878-A1 METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES ETH ZURICH (CH) 2017-03-30 US disclosed
US-20170088878-A1 METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES ETH ZURICH (CH) 2017-03-30 US disclosed
WO-2015124443-A1 METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES ETH ZURICH (CH) 2015-08-27 WO disclosed
US-8703890-B2 Polyfunctional polymer of high stereoregularity and method for producing the same THE UNIVERSITY OF TOKUSHIMA (JP) 2014-04-22 US disclosed
EP-2390274-B1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME UNIV TOKUSHIMA (JP) 2014-01-01 EP disclosed
EP-2390274-B1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME UNIV TOKUSHIMA (JP) 2014-01-01 EP disclosed
EP-2390274-A1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME The University of Tokushima (JP) 2011-11-30 EP disclosed
US-20110282004-A1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME THE UNIVERSITY OF TOKUSHIMA (JP) 2011-11-17 US disclosed
US-20110282004-A1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME THE UNIVERSITY OF TOKUSHIMA (JP) 2011-11-17 US disclosed
US-20110282004-A1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME THE UNIVERSITY OF TOKUSHIMA (JP) 2011-11-17 US disclosed
US-20110258688-A1 RESOURCE MONITORING USING A JMX MESSAGE BRIDGE SYBASE, INC. (US) 2011-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110282004-A1 POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME ACMSD, POLM, DRD2 SMN1; SMN2 3545/4885ALDH1A1 1379/4885KDM4E 4180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.